Spektraris NMR
Novaxenicin C
Common Name: Novaxenicin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O7/c1-10-7-15-17(26-15)20(4,25)6-5-11(13(10)9-21)12-8-14(27-18(12)23)16(22)19(2,3)24/h8,11,13-17,21-22,24-25H,1,5-7,9H2,2-4H3/t11-,13+,14-,15-,16?,17-,20+/m1/s1
InChIKey: InChIKey=MQIRKBSTEITVIF-APHMRBDOSA-N
Formula: C20H30O7
Molecular Weight: 382.448775
Exact Mass: 382.199153
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Bishara, A., Rudi, A., Goldberg, I., Benayahu, Y., Kashman, Y. Tetrahedron (2006) 62, 12092-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 143.1 |
| 2 (CH) | 55 |
| 3 (CH) | 36.1 |
| 4 (CH2) | 28.9 |
| 5 (CH2) | 34.8 |
| 6 (C) | 72.3 |
| 7 (CH) | 62.4 |
| 8 (CH) | 61.7 |
| 9 (CH2) | 29.1 |
| 10 (C) | 143.8 |
| 11 (CH) | 118.1 |
| 12 (CH) | 89.3 |
| 13 (CH) | 78.1 |
| 14 (C) | 71.1 |
| 15 (CH3) | 25.3 |
| 16 (CH3) | 26.2 |
| 17 (C) | 107.1 |
| 18 (CH2) | 69.7 |
| 19 (CH2) | 119.9 |
| 20 (CH3) | 32.1 |
